4YOB

Crystal Structure of Apo HIV-1 Protease MDR769 L33F

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	80
Detector technology	CCD
Collection date	2014-05-08
Detector	RAYONIX MX-300
Wavelength(s)	0.978
Spacegroup name	P 41 21 2
Unit cell lengths	45.754, 45.754, 102.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.328 - 1.504
R-factor	0.1769
Rwork	0.176
R-free	0.19430
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.984
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall
Low resolution limit [Å]	102.220
High resolution limit [Å]	1.500
Number of reflections	17812
<I/σ(I)>	34.4
Completeness [%]	99.1
Redundancy	14.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		297	2.4M ammonium sulfate, 0.1 M MES, pH 6.2; 2.4 M ammonium sulfate, 0.1 M HEPES, pH 6.8