2PZG

Minimal human CFTR first nucleotide binding domain as a monomer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2007-02-17
Detector	MAR CCD 165 mm
Wavelength(s)	0.9796
Spacegroup name	P 21 21 21
Unit cell lengths	62.417, 81.498, 99.304
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.907 - 1.800
R-factor	0.204
Rwork	0.203
R-free	0.23370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pze
RMSD bond length	0.011
RMSD bond angle	1.305
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	24.909	24.910	1.900
High resolution limit [Å]	1.800	5.690	1.800
Rmerge	0.077	0.036	0.781
Total number of observations		10461	43338
Number of reflections	47606
<I/σ(I)>	6.5	15.1	1
Completeness [%]	99.8	97.4	99.8
Redundancy	6.8	6.5	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	281	Protein: 9.5mg/ml NBD1, 0.15M NaCl, 0.01M methionine, 0.01M HEPES pH 7.5, 10% glycerol, 0.001M TCEP, 0.002M ATP; Well: 0.1M Hepes pH 6.5, 25% PEG 10K ; Cryo: 25% glycerol, vapor diffusion, temperature 281K