3NMZ

Crystal structure of APC complexed with Asef

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-08
Wavelength(s)	1.000
Spacegroup name	H 3
Unit cell lengths	163.175, 163.175, 242.593
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 3.010
R-factor	0.2505
Rwork	0.249
R-free	0.28390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nmw 2pz1
RMSD bond length	0.005
RMSD bond angle	0.861
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.110
High resolution limit [Å]	3.000	6.460	3.000
Rmerge	0.057	0.041	0.406
Number of reflections	46293
<I/σ(I)>	15.1
Completeness [%]	96.1	99.5	69.2
Redundancy	5.6	5.8	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	277	1M lithium sulfate, 0.5M ammonium sulfate, pH 5.6, vapor diffusion, hanging drop, temperature 277K