6PRA

S. aureus dihydrofolate reductase with NADP(H) and empty folate pocket

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-04-17
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 61 2 2
Unit cell lengths	78.890, 78.890, 106.880
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.101 - 2.010
R-factor	0.174
Rwork	0.172
R-free	0.21090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3m08
RMSD bond length	0.019
RMSD bond angle	1.929
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.101	2.080
High resolution limit [Å]	2.010	2.010
Rmerge	0.085	0.360
Number of reflections	13688	1331
<I/σ(I)>	13.5
Completeness [%]	99.8
Redundancy	11.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	20% PEG6000, 0.1M MES, 0.15M Na Acetate