9CUM

Q67H mutant of R67 DHFR complexed with Congo Red

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-11-24
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9764
Spacegroup name	I 41 2 2
Unit cell lengths	67.303, 67.303, 52.684
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.150
R-factor	0.12258
Rwork	0.122
R-free	0.13464
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	2.456
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	1.190
High resolution limit [Å]	1.150	1.150
Number of reflections	21571	2135
<I/σ(I)>	59.9
Completeness [%]	99.3	100
Redundancy	14.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	277	MPD, potassium phosphate, congo red